[4-(2-methoxyethyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [4-(2-methoxyethyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [4-(2-methoxyethyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [4-(2-methoxyethyl)phenyl] ester IUPAC Name: [4-(2-methoxyethyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [4-(2-methoxyethyl)phenyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27NO5S/c1-27-17-14-18-6-10-20(11-7-18)28-22(24)19-8-12-21(13-9-19)29(25,26)23-15-4-2-3-5-16-23/h6-13H,2-5,14-17H2,1H3